4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide

C20H22N2O2S — CID 3105132

IUPAC4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-14(2)21-19(24)16-8-10-17(11-9-16)20-22(18(23)13-25-20)12-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,21,24)
InChIKeySHZKKQCJIMGABE-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.60
Rot. Bonds5

About 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide (PubChem CID 3105132) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide
PubChem CID3105132
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-14(2)21-19(24)16-8-10-17(11-9-16)20-22(18(23)13-25-20)12-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,21,24)
InChIKeySHZKKQCJIMGABE-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide (CID 3105132) is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide?
The InChIKey is SHZKKQCJIMGABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14(2)21-19(24)16-8-10-17(11-9-16)20-22(18(23)13-25-20)12-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide?
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide has a molecular weight of 354.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 3105132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).